N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-4504 |
| Compound Name: | N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide |
| Molecular Weight: | 450.43 |
| Molecular Formula: | C23 H19 F N4 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1ccc(C(Nc2ccn(Cc3ccccc3F)n2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5988 |
| logD: | 4.5927 |
| logSw: | -4.4236 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.522 |
| InChI Key: | KIFPZKKIIYPMJH-UHFFFAOYSA-N |